Advanced Quantum Technologies cover story


The ab-initio DFT study of bulk KTaO₃ by L. Ranalli from the Quantum Materials Modelling group (C. Franchini) has been selected as a cover story for the April issue of Advanced Quantum Technologies.

The study offers interesting insights into the phenomenon of quantum paraelectricity in KTaO₃ and highlights the impact of machine learning methods in condensed matter physics, showing how to accelerate the discovery of anharmonic phonon properties.

Publication: L. Ranalli, C. Verdi, L. Monacelli, M. Calandra, G. Kresse, C. Franchini. 2023. ”Temperature Dependent Anharmonic Phonons in Quantum Paraelectric KTaO3 by First Principles and Machine Learned Force-Fields”. Advanced Quantum Technologies,

Reproduced with permission (© 2023, Wiley-VCH.)